1,3-bis(azanyl)-6-oxidanyl-9-phenyl-9,9a-dihydro-4aH-xanthene-2-carbonitrile

Systemtic Name: 1,3-bis(azanyl)-6-oxidanyl-9-phenyl-9,9a-dihydro-4aH-xanthene-2-carbonitrile Openeye Name: 1,3-diamino-6-hydroxy-9-phenyl-9,9a-dihydro-4aH-xanthene-2-carbonitrile CAS Name: 1,3-diamino-6-hydroxy-9-phenyl-9,9a-dihydro-4aH-xanthene-2-carbonitrile IUPAC Name: 1,3-diamino-6-hydroxy-9-phenyl-9,9a-dihydro-4aH-xanthene-2-carbonitrile Traditional Name: 1,3-diamino-6-hydroxy-9-phenyl-9,9a-dihydro-4aH-xanthene-2-carbonitrile Formula: C20H17N3O2 MolecularWeight: 331.36788

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2C3C(C=C(C(=C3N)C#N)N)OC4=C2C=CC(=C4)O

Isomeric SMILES

C1=CC=C(C=C1)C2C3C(C=C(C(=C3N)C#N)N)OC4=C2C=CC(=C4)O

InChI

InChI=1S/C20H17N3O2/c21-10-14-15(22)9-17-19(20(14)23)18(11-4-2-1-3-5-11)13-7-6-12(24)8-16(13)25-17/h1-9,17-19,24H,22-23H2